3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propyl-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: 3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propyl-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-(2,5-dioxopyrrol-1-yl)propyl]-dimethyl-ammonium chloride CAS Name: 3-(2,5-dioxo-1-pyrrolyl)propyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-(2,5-dioxopyrrol-1-yl)propyl]-dimethylazanium chloride Traditional Name: benzyl-(3-maleimidopropyl)-dimethyl-ammonium chloride Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C(=O)C=CC1=O)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[N+](C)(CCCN1C(=O)C=CC1=O)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H21N2O2.ClH/c1-18(2,13-14-7-4-3-5-8-14)12-6-11-17-15(19)9-10-16(17)20;/h3-5,7-10H,6,11-13H2,1-2H3;1H/q+1;/p-1